Information card for entry 7016261

Structure parameters

• Formula: C22 H17 F6 N5 O3 P Re
• Calculated formula: C22 H17 F6 N5 O3 P Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)([n]1nn(C)cc1c1ccccc1)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.
• Authors of publication: Uppal, Baljinder S.; Booth, Rebecca K.; Ali, Noreen; Lockwood, Cindy; Rice, Craig R.; Elliott, Paul I. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7610 - 7616
• a: 36.1896 ± 0.0014 Å
• b: 8.5518 ± 0.0003 Å
• c: 17.3133 ± 0.0007 Å
• α: 90°
• β: 116.081 ± 0.001°
• γ: 90°
• Cell volume: 4812.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No